Geometry & MOs

Info

ID:	48448
PubChem CID:	10584685
Reduced:	BNO3C10H20 (1)
Stoich.:	ABC3D10E20 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-206.93
Dipole, Da:	4.55
IP(EA), eV:	-9.46(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-3a-methyl-3,4,5,6-tetrahydrocyclopenta[c][1,2]oxazole

Drug info:

PubChemData

Smile

B1(OCCNCCO1)CCC(=O)C(C)C

DOS

IR

Vibrations